HMDB0035444 RDKit 3D Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] 74 78 0 0 0 0 0 0 0 0999 V2000 -7.4113 2.2957 -2.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1734 1.8499 -2.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 0.9874 -2.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8387 2.3791 -0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7353 2.0780 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8252 2.9440 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0248 2.6080 1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3993 2.1982 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 1.3507 -0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 0.4102 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9145 -0.8825 0.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 -1.6766 1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 -2.1233 0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 -1.3041 1.5704 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 -0.7398 1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 0.0880 1.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 0.6600 1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 0.4555 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 1.0419 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4956 2.4205 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 2.6975 -1.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 3.2589 -2.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0367 2.2678 -1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2529 2.7158 -1.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4407 2.3131 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3786 1.4615 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5938 1.0661 0.4486 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 1.0189 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 1.4165 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 0.9622 0.3365 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 -0.3579 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4606 -0.9480 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8052 -3.4201 1.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 -4.3755 0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9492 -4.6678 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -5.1420 -0.3865 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 -3.9655 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 -5.0298 1.0458 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 -2.8072 1.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8046 -3.2622 2.8632 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7027 0.6180 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 0.4271 1.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2882 3.2698 -3.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7334 1.5085 -3.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2477 2.4408 -2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9725 2.7487 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8798 4.0120 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0354 2.8877 2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 3.2489 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 2.1141 -1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9487 0.5699 1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3348 -0.9923 2.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 -2.1740 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 0.2668 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 1.3038 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 0.3858 -1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 3.1937 -0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6546 2.4244 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2833 3.3775 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3974 2.6599 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0170 0.2223 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1187 0.3528 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 -0.5297 -1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 -1.5595 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 -5.3072 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5584 -5.4470 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8673 -3.8185 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8275 -5.1056 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 -3.7208 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2256 -5.8207 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3302 -2.5832 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 -3.6320 3.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0849 -0.0365 -0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7038 0.4520 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 18 31 1 0 31 32 2 0 13 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 34 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 10 41 1 0 41 42 1 0 41 5 1 0 39 12 1 0 32 15 1 0 30 19 1 0 29 23 1 0 1 43 1 0 1 44 1 0 1 45 1 0 6 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 10 51 1 0 12 52 1 0 13 53 1 0 16 54 1 0 17 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 24 59 1 0 25 60 1 0 27 61 1 0 28 62 1 0 31 63 1 0 32 64 1 0 34 65 1 0 35 66 1 0 35 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 39 71 1 0 40 72 1 0 41 73 1 0 42 74 1 0 M END